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Compound Detail

CHEMBL3545441

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CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545441
Phase Preclinical
Structure Type MOL
InChI Key XAKKQSXMZRIZNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
1.31
ALogP
2
HBA
3
HBD
110.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O2
MW 308.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine